Cefapirin sodium - ≥98% , Bacterial penicillin-binding protein inhibitor, CAS No.24356-60-3, Bacterial penicillin-binding protein inhibitor

CAS: 24356-60-3 Cat. No.: C303172 Formule: C₁₇H₁₆N₃NaO₆S₂ Poids moléculaire: 445.445 Numéro CE: 246-194-2

GRADE & PURITY ≥98%

Synonyms

Q27106128 | (7R,7aR)-3-(acetyloxymethyl)-6-oxo-7-(2-(4-pyridylthio)acetylamino)-2H,7H-azet idino[2,1-b]1,3-thiazine-4-carboxylic acid, sodium salt | 7-(alpha-(4-Pyridylthio)acetamido)cephalosporanic acid sodium salt | HMS1570L03 | Cephapirin Monosodium Sa

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

Q27106128 | (7R,7aR)-3-(acetyloxymethyl)-6-oxo-7-(2-(4-pyridylthio)acetylamino)-2H,7H-azet idino[2,1-b]1,3-thiazine-4-carboxylic acid, sodium salt | 7-(alpha-(4-Pyridylthio)acetamido)cephalosporanic acid sodium salt | HMS1570L03 | Cephapirin Monosodium Sa

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Mécanisme d'action

Bacterial penicillin-binding protein inhibitor

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488200478
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200478
• Sourires canoniques: CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)[O-].[Na+]
• IUPAC Name: sodium;(6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• InChIKey: VGEOUKPOQQEQSX-OALZAMAHSA-M
• INCHI: 1S/C17H17N3O6S2.Na/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11;/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25);/q;+1/p-1/t13-,16-;/m1./s1
• Isomères SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)[O-].[Na+]
• Poids moléculaire: 445.445
• Reaxy-Rn: 1056857
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1056857&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Lactams
      • Subclass Beta lactams
        • Level5 Cephems
          • Level6 Cephalosporins
            • Level7 Cephalosporin 3'-esters

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Lactams
• Subclass: Beta lactams
• Intermediate Tree Nodes: Cephems - Cephalosporins
• Direct Parent: Cephalosporin 3'-esters
• Alternative Parents: N-acyl-alpha amino acids and derivatives Alkylarylthioethers Pyridines and derivatives 1,3-thiazines Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Carboxylic acid esters Carboxylic acid salts Thiohemiaminal derivatives Sulfenyl compounds Azacyclic compounds Dialkylthioethers Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic sodium salts Organic zwitterions Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Cephalosporin 3'-ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - Alkylarylthioether - Meta-thiazine - Dicarboxylic acid or derivatives - Pyridine - Heteroaromatic compound - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid ester - Carboxylic acid salt - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Carboxylic acid - Organic alkali metal salt - Dialkylthioether - Thioether - Hemithioaminal - Sulfenyl compound - Organonitrogen compound - Organic sodium salt - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic salt - Carbonyl group - Organic zwitterion - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as cephalosporin 3'-esters. These are cephalosporins that are esterified at the 3'-position.
• External Descriptors: cephalosporin - organic sodium salt

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in DMSO、Methanol
• Sensibilité: light sensitive;Moisture sensitive
• Point d'éclair (°C): 427.9℃
• Point d'ébullition (°C): 783.9℃ at 760 mmHg
• Point de fusion (°C): >177°C
• Poids moléculaire: 445.400 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 445.038 Da
• Monoisotopic Mass: 445.038 Da
• Topological Polar Surface Area: 179.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 713.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Références

1. Xiao-Fan Lu, Zi-Xuan Nan, Xin-Yu Li, Mei Zhao, Jian-Ping Ma, Wenhua Ji, Dian-Shun Guo.  (2024)  Large-pore covalent organic framework as solid phase extraction absorbentforefficientdetermination of polypeptide antibiotics in animal-derived foods.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:38991603] [10.1016/j.chroma.2024.465150]

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 24356-60-3, the molecular formula is C17H16N3NaO6S2, and the molecular weight is 445.445 g/mol. InChIKey VGEOUKPOQQEQSX-OALZAMAHSA-M.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.